SCHEMBL9759486

SCHEMBL9759486

CCN(C)C[C@@H](C)N1c2ccccc2Sc2ccc(C(=S)NCCC(C)C)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TP53 P04637 5/20 0.39
CHRM2 P08172 2/20 0.39
HTR1A P08908 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRA1A P35348 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
KCNH2 Q12809 2/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 5/20 0.38
MEN1 O00255 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9759479 1.00 LMNA (0.45) LMNATP53CHRM2HTR1ACHRM1
Hydrochloric Acid SCHEMBL9759354 0.99 LMNA (0.44) LMNATP53CHRM2HTR1ACHRM1
Hydrochloric Acid SCHEMBL9759346 0.99 LMNA (0.44) LMNATP53CHRM2HTR1ACHRM1
SCHEMBL9784880 0.93 BCHE (0.41) LMNATP53CHRM2HTR1ACHRM1
SCHEMBL9759287 0.92 BCHE (0.43) LMNATP53CHRM2HTR1ACHRM1
Hydrochloric Acid SCHEMBL9759675 0.92 BCHE (0.40) LMNATP53CHRM2HTR1ACHRM1
Hydrochloric Acid SCHEMBL9759679 0.92 BCHE (0.40) LMNATP53CHRM2HTR1ACHRM1
SCHEMBL9759291 0.92 BCHE (0.43) LMNATP53CHRM2HTR1ACHRM1
Hydrochloric Acid SCHEMBL9759812 0.91 BCHE (0.43) LMNATP53CHRM2HTR1ACHRM1
Hydrochloric Acid SCHEMBL9759816 0.91 BCHE (0.43) LMNATP53CHRM2HTR1ACHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049669-A Also diuretics RHONE-POULENC SANTE (FR) 1991-09-17 US disclosed
US-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed